![PELARGONIDIN-3-[2''-(2''-TRANS-CAFFEOYL-BETA-D-GLUCOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE]](/api/spectrum/APSNPJz6oEX/structure.png?h=300&w=458 "PELARGONIDIN-3-[2''-(2''-TRANS-CAFFEOYL-BETA-D-GLUCOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE]")
| SpectraBase Compound ID | HNzNAbu9aCj |
|---|---|
| InChI | InChI=1S/C36H36O18/c37-13-25-29(46)31(48)34(35(51-25)50-24-12-19-21(42)10-18(40)11-23(19)49-32(24)16-3-5-17(39)6-4-16)54-36-33(30(47)28(45)26(14-38)52-36)53-27(44)8-2-15-1-7-20(41)22(43)9-15/h1-12,25-26,28-31,33-38,45-48H,13-14H2,(H4-,39,40,41,42,43,44)/p+1/t25-,26-,28-,29+,30+,31+,33-,34-,35-,36+/m1/s1 |
| InChIKey | GYZHQYZFUONYNA-UKNAWFQASA-O |
| Mol Weight | 757.7 g/mol |
| Molecular Formula | C36H37O18 |
| Exact Mass | 757.197989 g/mol |
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| SpectraBase Spectrum ID | APSNPJz6oEX |
|---|---|
| Name | PELARGONIDIN-3-[2''-(2''-TRANS-CAFFEOYL-BETA-D-GLUCOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H37O18 |
| InChI | InChI=1S/C36H36O18/c37-13-25-29(46)31(48)34(35(51-25)50-24-12-19-21(42)10-18(40)11-23(19)49-32(24)16-3-5-17(39)6-4-16)54-36-33(30(47)28(45)26(14-38)52-36)53-27(44)8-2-15-1-7-20(41)22(43)9-15/h1-12,25-26,28-31,33-38,45-48H,13-14H2,(H4-,39,40,41,42,43,44)/p+1/t25-,26-,28-,29+,30+,31+,33-,34-,35-,36+/m1/s1 |
| InChIKey | GYZHQYZFUONYNA-UKNAWFQASA-O |
| Literature Reference Author | K.YOSHITAMA,A.SAEKI,T.IWATA,N.ISHIKURA,S.YAHARA |
| Literature Reference Citation | PHYTOCHEM.,47,105(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00473-1 |
| Molecular Weight | 757.679 g/mol |
| Solvent | DMSO-D6:TFA=9:1 |